Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Monophosphothiamine [INN:DCF]
RN: 532-40-1
UNII: P712T71Q3T
InChIKey: GUGWNSHJDUEHNJ-UHFFFAOYSA-N

Note

  • Thiamine dihydrogen phosphate ester. The monophosphate ester of thiamine. Synonyms: monophosphothiamine; vitamin B1 monophosphate.

Molecular Formulas

  • C12-H18-Cl-N4-O4-P-S
  • C12-H18-N4-O4-P-S.Cl

Molecular Weight

  • 380.7912
 

Classification Codes

  • Growth Substances
  • Micronutrients
  • Vitamin B Complex
  • Vitamins
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Monophosphothiamine [INN:DCF]
  • Thiamine monophosphate

MeSH Heading

  • Thiamine monophosphate

Synonyms

  • Aneurin-monophosphorsaeureesterchlorid
  • EINECS 208-536-9
  • Monofosfotiamina
  • Monofosfotiamina [INN-Spanish]
  • Monophosphoric ester of thiamine
  • Monophosphothiamine
  • Monophosphothiaminum
  • Monophosphothiaminum [INN-Latin]
  • Phosphothiaminum
  • Thiamin dihydrogenphosphatchlorid
  • Thiamine monophosphate chloride
  • Tiamina monofosfato
  • Tiamina monofosfato [DCIT]
  • UNII-P712T71Q3T
  • Vitamin B1 monophosphate
  • Vitamin B1 phosphate

Systematic Names

  • Monophosphoric ester of thiamine
  • Monophosphothiamine
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-, chloride

Registry Numbers

CAS Registry Number

  • 532-40-1

FDA UNII

  • P712T71Q3T

System Generated Number

  • 0000532401

Molecular Formulas

Molecular Formulas

  • C12-H18-Cl-N4-O4-P-S
  • C12-H18-N4-O4-P-S.Cl

Molecular Formula Fragments

  • C12-H18-N4-O4-P-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H

InChIKey

GUGWNSHJDUEHNJ-UHFFFAOYSA-N

Smiles

Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O.[Cl-]